CID 11308890
2190-25-2
Structural Information
- Molecular Formula
- C53H100O6
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-
- InChIKey
- FDCOHGHEADZEGF-QPLCGJKRSA-N
- Compound name
- 1,3-di(hexadecanoyloxy)propan-2-yl (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 833.75928 | 310.9 |
[M+Na]+ | 855.74122 | 314.9 |
[M-H]- | 831.74472 | 294.7 |
[M+NH4]+ | 850.78582 | 318.0 |
[M+K]+ | 871.71516 | 322.8 |
[M+H-H2O]+ | 815.74926 | 311.4 |
[M+HCOO]- | 877.75020 | 307.4 |
[M+CH3COO]- | 891.76585 | 308.0 |
[M+Na-2H]- | 853.72667 | 289.8 |
[M]+ | 832.75145 | 312.4 |
[M]- | 832.75255 | 312.4 |